BDBM47900 1-(5-bromo-2-fluorophenyl)-2-(chloroacetyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline::1-[1-(5-bromanyl-2-fluoranyl-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-chloranyl-ethanone::1-[1-(5-bromo-2-fluoro-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-chloro-ethanone::1-[1-(5-bromo-2-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-chloroethanone::MLS001198393::SMR000559208::cid_3912197

SMILES: COc1cc2CCN(C(c3cc(Br)ccc3F)c2cc1OC)C(=O)CCl

InChI Key: InChIKey=NWOYVUWTTVJPLW-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 47900   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
3C-like protease (Avian infectious bronchitis virus)	BDBM47900 (1-(5-bromo-2-fluorophenyl)-2-(chloroacetyl)-6,7-di...) Show SMILES COc1cc2CCN(C(c3cc(Br)ccc3F)c2cc1OC)C(=O)CCl Show InChI InChI=1S/C19H18BrClFNO3/c1-25-16-7-11-5-6-23(18(24)10-21)19(13(11)9-17(16)26-2)14-8-12(20)3-4-15(14)22/h3-4,7-9,19H,5-6,10H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	9.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q29K48NM
					More data for this Ligand-Target Pair
DNA recombination protein RecA (Mycobacterium tuberculosis H37Rv)	BDBM47900 (1-(5-bromo-2-fluorophenyl)-2-(chloroacetyl)-6,7-di...) Show SMILES COc1cc2CCN(C(c3cc(Br)ccc3F)c2cc1OC)C(=O)CCl Show InChI InChI=1S/C19H18BrClFNO3/c1-25-16-7-11-5-6-23(18(24)10-21)19(13(11)9-17(16)26-2)14-8-12(20)3-4-15(14)22/h3-4,7-9,19H,5-6,10H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	5.91E+3	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Specialized Biocontainment Screening Center Curated by PubChem BioAssay					Assay Description Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q26H4FW6
					More data for this Ligand-Target Pair
Hsf1 protein (Mus musculus)	BDBM47900 (1-(5-bromo-2-fluorophenyl)-2-(chloroacetyl)-6,7-di...) Show SMILES COc1cc2CCN(C(c3cc(Br)ccc3F)c2cc1OC)C(=O)CCl Show InChI InChI=1S/C19H18BrClFNO3/c1-25-16-7-11-5-6-23(18(24)10-21)19(13(11)9-17(16)26-2)14-8-12(20)3-4-15(14)22/h3-4,7-9,19H,5-6,10H2,1-2H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	3.09E+3	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MW2FKX
					More data for this Ligand-Target Pair